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Gly-PEG3-endo-BCN

CAT: 0013-GTR19226179-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226179-01Size:100 mg
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Description
Gly-PEG3-endo-BCN is a heterobifunctional linker used to construct PROTAC molecules for targeted protein degradation. It connects a target-binding ligand to an E3 ligase recruiter, enabling the study of protein function in both cellular and in vivo models via the ubiquitin-proteasome system.
CAS Number
2354291-37-3
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
[H][C@@]12CCC#CCC[C@]1 ([H]) [C@@H]2COC (=O) NCCCOCCOCCOCCCNC (=O) CN
Molecular Formula
C23H39N3O6
Molecular Weight
453.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gly-PEG3-endo-BCN
CAS Number2354291-37-3
PubChem CID137334037
IUPAC Name[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[3-[2-[2-[3-[(2-aminoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]carbamate
Molecular FormulaC23H39N3O6
Molecular Weight453.6
XLogP1
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count32
Formal Charge0
Complexity599
SMILES
C1C[C@@H]2[C@@H](C2COC(=O)NCCCOCCOCCOCCCNC(=O)CN)CCC#C1
InChI
InChI=1S/C23H39N3O6/c24-17-22(27)25-9-5-11-29-13-15-31-16-14-30-12-6-10-26-23(28)32-18-21-19-7-3-1-2-4-8-20(19)21/h19-21H,3-18,24H2,(H,25,27)(H,26,28)/t19-,20+,21?
InChIKey
MZZHRBCWKALCAE-WCRBZPEASA-N
Chemical Structure
2D Structure
2D structure of Gly-PEG3-endo-BCN
CAS: 2354291-37-3
CID: 137334037
Formula: C23H39N3O6
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass453.28388597
Monoisotopic Mass453.28388597
Topological Polar Surface Area121 Ų
Heavy Atom Count32
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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